ergo
scf.h File Reference

Code for classes containing various options related to self-consistent field (SCF) calculations. More...

#include <string.h>
#include "molecule.h"
#include "basisinfo.h"
#include "integrals_2el.h"
#include "matrix_typedefs.h"

Go to the source code of this file.

Classes

struct  SCF::Options
 
struct  SCF::MatOptions
 An object respresenting the configuration of the matrix library. More...
 
struct  SCF::OutputOptions
 

Namespaces

 SCF
 

Variables

static const int SCF::DISTURB_ELEMENT_MAX_COUNT = 60
 

Detailed Description

Code for classes containing various options related to self-consistent field (SCF) calculations.

Author
: Elias Rudberg responsible.